S-phenyl (2S,3S)-2-methyl-3-(4-nitro-3-oxidanyl-phenyl)-3-oxidanyl-propanethioate

Systemtic Name: S-phenyl (2S,3S)-2-methyl-3-(4-nitro-3-oxidanyl-phenyl)-3-oxidanyl-propanethioate Openeye Name: S-phenyl (2S,3S)-3-hydroxy-3-(3-hydroxy-4-nitro-phenyl)-2-methyl-propanethioate CAS Name: (2S,3S)-3-hydroxy-3-(3-hydroxy-4-nitrophenyl)-2-methylpropanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3S)-3-hydroxy-3-(3-hydroxy-4-nitrophenyl)-2-methylpropanethioate Traditional Name: (2S,3S)-3-hydroxy-3-(3-hydroxy-4-nitro-phenyl)-2-methyl-propanethioic acid S-phenyl ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)[N+](=O)[O-])O)O)C(=O)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](C1=CC(=C(C=C1)[N+](=O)[O-])O)O)C(=O)SC2=CC=CC=C2

InChI

InChI=1S/C16H15NO5S/c1-10(16(20)23-12-5-3-2-4-6-12)15(19)11-7-8-13(17(21)22)14(18)9-11/h2-10,15,18-19H,1H3/t10-,15-/m0/s1